General Information of the Compound
| Compound ID |
CP0566279
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| Compound Name |
US9187424, 178
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| Structure |
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| Formula |
C32H35N3O4
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| Molecular Weight |
525.649
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| Canonical SMILES |
COc1ccc(NC(=O)C2=C(CC(C)(NC2=O)C(=O)NCCCCc2ccccc2)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C32H35N3O4/c1-22-12-14-24(15-13-22)27-21-32(2,31(38)33-20-8-7-11-23-9-5-4-6-10-23)35-30(37)28(27)29(36)34-25-16-18-26(39-3)19-17-25/h4-6,9-10,12-19H,7-8,11,20-21H2,1-3H3,(H,33,38)(H,34,36)(H,35,37)
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| InChIKey |
XDEPQFJZLTXZPL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound